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2,5-bis[[5-(benzyloxycarbonyl)-3-ethyl-4-methylpyrrol-2-yl]methyl]-3,4-diethylpyrrole
SpectraBase Compound ID Esm46YIdUb
InChI InChI=1S/C40H47N3O4/c1-7-29-25(5)37(39(44)46-23-27-17-13-11-14-18-27)42-33(29)21-35-31(9-3)32(10-4)36(41-35)22-34-30(8-2)26(6)38(43-34)40(45)47-24-28-19-15-12-16-20-28/h11-20,41-43H,7-10,21-24H2,1-6H3
InChIKey JVIIBHJCZYKLEH-UHFFFAOYSA-N
Mol Weight 633.8 g/mol
Molecular Formula C40H47N3O4
Exact Mass 633.356657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YWMkEPN0HA
Name 2,5-bis[[5-(benzyloxycarbonyl)-3-ethyl-4-methylpyrrol-2-yl]methyl]-3,4-diethylpyrrole
CAS Registry Number 109929-97-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H47N3O4
InChI InChI=1S/C40H47N3O4/c1-7-29-25(5)37(39(44)46-23-27-17-13-11-14-18-27)42-33(29)21-35-31(9-3)32(10-4)36(41-35)22-34-30(8-2)26(6)38(43-34)40(45)47-24-28-19-15-12-16-20-28/h11-20,41-43H,7-10,21-24H2,1-6H3
InChIKey JVIIBHJCZYKLEH-UHFFFAOYSA-N
Molecular Weight 633.833 g/mol
SMILES [nH]1c(c(c(c1Cc1c(c(c(Cc2c(c(c([nH]2)C(OCc2ccccc2)=O)C)CC)[nH]1)CC)CC)CC)C)C(OCc1ccccc1)=O
SPLASH splash10-0a7i-0095034000-564b9ffe23d5f92d0e3f
Source of Spectrum J-52-4396-5
Synonyms (phenylmethyl) 5-[[3,4-diethyl-5-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate 5-[[3,4-diethyl-5-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester 5-[[5-[(5-carbobenzoxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester benzyl 5-[[3,4-diethyl-5-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1412257